LMPK12010295 LIPID_MAPS_STRUCTURE_DATABASE 50 54 0 0 0 999 V2000 9.5979 10.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5979 9.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4973 8.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3965 9.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3965 10.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4973 10.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 8.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1954 9.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1954 10.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 10.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0945 10.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0111 10.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9276 10.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9276 11.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0111 12.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0945 11.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6989 10.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8442 12.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4973 7.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1018 8.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0111 13.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8442 10.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0285 8.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1260 7.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2963 5.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2359 6.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0518 4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6503 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6136 7.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1627 7.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7478 6.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7845 6.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3697 5.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3146 8.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8003 3.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4820 2.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8670 3.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9444 5.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0736 5.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 6.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8438 8.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 7.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2683 6.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3302 6.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 6.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 7.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 8.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 8.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 8.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 9.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 1 0 0 28 20 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 27 35 1 0 0 0 35 36 1 0 0 0 35 37 2 0 0 0 46 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 43 38 1 6 0 0 44 39 1 1 0 0 45 40 1 6 0 0 48 49 1 0 0 0 48 50 2 0 0 0 42 19 1 1 0 0 34 48 1 0 0 0 34 47 1 0 0 0 M CHG 1 10 1 M END > LMPK12010295 > Delphinidin 3,5-di(6-acetylglucoside) > 3,5-Bis[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium > C31H35O19 > 711.18 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > KCSOXZNFQZDAHM-IOUFFHECSA-O > InChI=1S/C31H34O19/c1-10(32)44-8-20-23(38)25(40)27(42)30(49-20)47-18-6-13(34)5-17-14(18)7-19(29(46-17)12-3-15(35)22(37)16(36)4-12)48-31-28(43)26(41)24(39)21(50-31)9-45-11(2)33/h3-7,20-21,23-28,30-31,38-43H,8-9H2,1-2H3,(H3-,34,35,36,37)/p+1/t20-,21-,23-,24-,25+,26+,27-,28-,30-,31-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C)O2)=C1 > - > - > - > - > - > - > 14779713 > - > - > - > - > - > 33090; 22002 > - $$$$